24789481 -OEChem-05032417542D 81 83 0 1 0 0 0 0 0999 V2000 10.4387 1.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 0.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8424 2.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5366 2.6014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.7953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 5.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.2047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0468 4.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3898 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7445 1.6233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0014 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6956 1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3408 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0808 0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2093 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 -0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1604 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3776 3.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 -1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 -1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6251 -1.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 5.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1549 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6728 1.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4265 0.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1493 0.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9305 1.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5324 1.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2885 2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8904 3.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1091 2.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4911 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8892 0.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6704 0.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9974 3.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8765 -0.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6211 0.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -5.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -5.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2133 -2.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9579 -1.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 2.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 2.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -2.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -1.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -2.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 2.4853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 1.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 5.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -0.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -1.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 6.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 41 1 0 0 0 0 3 15 2 0 0 0 0 4 21 2 0 0 0 0 5 36 2 0 0 0 0 6 41 2 0 0 0 0 13 7 1 6 0 0 0 7 21 1 0 0 0 0 7 55 1 0 0 0 0 8 32 1 0 0 0 0 8 36 1 0 0 0 0 8 74 1 0 0 0 0 9 28 1 0 0 0 0 9 42 1 0 0 0 0 9 77 1 0 0 0 0 10 34 1 0 0 0 0 10 41 1 0 0 0 0 10 80 1 0 0 0 0 11 24 1 0 0 0 0 11 42 2 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 22 29 1 0 0 0 0 22 56 1 0 0 0 0 23 30 2 0 0 0 0 23 57 1 0 0 0 0 24 28 2 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 36 1 0 0 0 0 29 35 2 0 0 0 0 29 67 1 0 0 0 0 30 35 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 37 2 0 0 0 0 31 38 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 39 2 0 0 0 0 33 40 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 37 39 1 0 0 0 0 37 75 1 0 0 0 0 38 40 2 0 0 0 0 38 76 1 0 0 0 0 39 78 1 0 0 0 0 40 79 1 0 0 0 0 42 81 1 0 0 0 0 M END > 24789481 > 1 > 916 > 7 > 4 > 14 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADGzBngQ3mJbJlACoAyXzfACCgC23EKAJ2YGoVMmKaDrA2TGfIYhslgLYiWedyKCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > tert-butyl (2S)-2-[[5-[[4-[(tert-butoxycarbonylamino)methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate > (2S)-2-[[[5-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]methylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester > tert-butyl (2S)-2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate > tert-butyl (2S)-2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate > tert-butyl (2S)-2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate > (2S)-2-[[5-[[4-[(tert-butoxycarbonylamino)methyl]benzyl]carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester > InChI=1S/C31H39N5O6/c1-30(2,3)41-28(39)23(16-20-10-8-7-9-11-20)36-27(38)25-24(34-19-35-25)26(37)32-17-21-12-14-22(15-13-21)18-33-29(40)42-31(4,5)6/h7-15,19,23H,16-18H2,1-6H3,(H,32,37)(H,33,40)(H,34,35)(H,36,38)/t23-/m0/s1 > OFVPTQYHBSAEHG-QHCPKHFHSA-N > 4.2 > 577.29003398 > C31H39N5O6 > 577.7 > CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=C(C=C3)CNC(=O)OC(C)(C)C > CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=C(C=C3)CNC(=O)OC(C)(C)C > 152 > 577.29003398 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 24 8 11 42 8 19 22 8 19 23 8 22 29 8 23 30 8 24 28 8 29 35 8 30 35 8 31 37 8 31 38 8 33 39 8 33 40 8 37 39 8 38 40 8 13 7 6 9 28 8 9 42 8 $$$$